Molecule FYI-1004305

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A

Molecule Summary:

ID: FYI-1004305
Names:
InChIKey: DYDCUQKUCUHJBH-UWTATZPHSA-N
SMILES: N[C@@H]1CONC1=O

Received at FYIcenter.com on: 2023-08-28

Molecule ID: FYI-1004305 Edit

Molecule Structure InChIKey: DYDCUQKUCUHJBH-UWTATZPHSA-N

Molecule Structure SMILES String: N[C@@H]1CONC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004305
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.8326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
  2  7  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004305-3D
FYIcenter.com

 13 13  0     1  0  0  0  0  0999 V2000
   -1.7919    0.0017    0.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3808    1.4506   -0.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9168    1.0954   -0.1404 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961   -1.4060   -0.2218 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3914   -0.7225    0.4202 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9581   -1.1481   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    0.7289    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.8084    1.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317   -1.4043   -1.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3785   -1.9939    0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2957    1.9924   -0.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4407   -2.4049   -0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -1.0862    0.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2113👍, 0💬